| SpectraBase Spectrum ID |
5G7rdBjkXY |
| Name |
(S)-9a-(4-methoxybenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.152143537 u |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-21-14-8-6-13(7-9-14)12-17-10-3-11-18(17)16(20)5-2-4-15(17)19/h6-9H,2-5,10-12H2,1H3/t17-/m0/s1 |
| InChIKey |
ODAVFUHDTIQIFH-KRWDZBQOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Optical Rotation |
[a]D22 = 32 (c = 1.0, CHCl3) |
| Quality |
171 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC1=CC=C(C=C1)OC)=O |
| SPLASH |
splash10-05fr-9400000000-b98ab753348db6680259 |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-60-SM48-2b (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891351 |
![(S)-9a-(4-methoxybenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/5G7rdBjkXY/structure.png?h=300&w=458 "(S)-9a-(4-methoxybenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
